Structure database (LMSD)

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LM IDLMPK12160009
Common NameEuchretin C
Systematic Name-
Synonyms5,7,4',5'-Tetrahydroxy-6,8,3'-triprenylcoumaronochromone
Exact Mass
504.2148 (neutral)    Calculate m/z:
FormulaC30H32O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID44260102
METABOLOMICS IDFLIG1LNI0007
InChIKeyIZIAIFCTOOEOCV-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C30H32O7/c1-14(2)7-10-17-24(32)18(11-8-15(3)4)29-23(26(17)34)27(35)22-2
0-13-21(31)25(33)19(12-9-16(5)6)28(20)36-30(22)37-29/h7-9,13,31-34H,10-12H2,1-6H
3
SMILESC1(O)=C(C/C=C(/C)\C)C2OC3OC4C(=CC(O)=C(O)C=4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1C/C=C(
\C)/C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms37Rings4Aromatic Rings4Rotatable Bonds6
 van der Waals
Molecular Volume
467.01Topological Polar
Surface Area
124.27Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP7.94Molar
Refractivity
145.93